ChemSpider 2D Image | (7R)-14-Cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8,14,14a-tetrahydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid | C29H39N3O3

(7R)-14-Cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8,14,14a-tetrahydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid

  • Molecular FormulaC29H39N3O3
  • Average mass477.638 Da
  • Monoisotopic mass477.299133 Da
  • ChemSpider ID57523439
  • defined stereocentres - 1 of 3 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(7R)-14-Cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8,14,14a-tetrahydro-6H-indolo[1,2-e][1,5]benzoxazocin-11-carbonsäure [German] [ACD/IUPAC Name]
(7R)-14-Cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8,14,14a-tetrahydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid [ACD/IUPAC Name]
6H-Indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid, 14-cyclohexyl-7-[[2-(dimethylamino)ethyl]methylamino]-7,8,14,14a-tetrahydro-, (7R)- [ACD/Index Name]
Acide (7R)-14-cyclohexyl-7-{[2-(diméthylamino)éthyl](méthyl)amino}-7,8,14,14a-tétrahydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylique [French] [ACD/IUPAC Name]
886041-60-7 [RN]
MK 3281

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 601.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 317.6±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 139.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 25.45
ACD/KOC (pH 5.5): 62.02
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 36.29
ACD/KOC (pH 7.4): 88.43
Polar Surface Area: 56 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 390.6±5.0 cm3

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